CID 458851

N,n'-bis(4-acetylphenyl)propanediamide

Structural Information

Molecular Formula
C19H18N2O4
SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C19H18N2O4/c1-12(22)14-3-7-16(8-4-14)20-18(24)11-19(25)21-17-9-5-15(6-10-17)13(2)23/h3-10H,11H2,1-2H3,(H,20,24)(H,21,25)
InChIKey
NNRMVWUZVUTZEB-UHFFFAOYSA-N
Compound name
N,N'-bis(4-acetylphenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.12665 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13393 179.2
[M+Na]+ 361.11587 183.4
[M-H]- 337.11937 185.6
[M+NH4]+ 356.16047 191.3
[M+K]+ 377.08981 180.8
[M+H-H2O]+ 321.12391 170.4
[M+HCOO]- 383.12485 201.5
[M+CH3COO]- 397.14050 216.9
[M+Na-2H]- 359.10132 179.3
[M]+ 338.12610 179.6
[M]- 338.12720 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.